Abstract
The effect of V co-doping of Nb-SrTiO3 is studied by full-potential density functional theory. We obtain a stronger increase of the carrier density for V than for Nb dopants. While in Nb-SrTiO3 a high carrier density counteracts a high thermoelectric figure of merit, the trend is inverted by V co-doping. The mechanism leading to this behavior is explained in terms of a local spin-polarization introduced by the V ions. Our results indicate that magnetic co-doping can be a prominent tool for improving the thermoelectric figure of merit.
Keywords
Figure of merit
Doping
Condensed matter physics
Thermoelectric effect
Materials science
Dopant
Density functional theory
Charge-carrier density
Optoelectronics
Chemistry
Physics
Thermodynamics
Computational chemistry
Subject Areas
Magnetic and transport properties of perovskites and related materials
·Electronic, Optical and Magnetic Materials ·Physical Sciences
Electronic and Structural Properties of Oxides
·Materials Chemistry ·Physical Sciences
Advanced Thermoelectric Materials and Devices
·Materials Chemistry ·Physical Sciences
Citations by Year
2013: 2
2014: 1
2017: 1
2019: 1
2020: 2
2022: 1
2023: 1
2024: 1
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